(phenylmethyl) 5,7-dinitro-2,3-dihydroindole-1-carboxylate

Systemtic Name: (phenylmethyl) 5,7-dinitro-2,3-dihydroindole-1-carboxylate Openeye Name: benzyl 5,7-dinitroindoline-1-carboxylate CAS Name: 5,7-dinitro-2,3-dihydroindole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5,7-dinitro-2,3-dihydroindole-1-carboxylate Traditional Name: 5,7-dinitroindoline-1-carboxylic acid benzyl ester Formula: C16H13N3O6 MolecularWeight: 343.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2=C(C=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O6/c20-16(25-10-11-4-2-1-3-5-11)17-7-6-12-8-13(18(21)22)9-14(15(12)17)19(23)24/h1-5,8-9H,6-7,10H2